CAS
9028-00-6 Purity
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9028-00-6 Purity
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Specification
The molecular formula is C8H9ClO2.
The IUPAC name is 1-chloro-2,3-dimethoxybenzene.
The molecular weight is 172.61 g/mol.
The InChI is InChI=1S/C8H9ClO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3.
The InChIKey is JVCXXMPHTZGGNV-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C(=CC=C1)Cl)OC.
The CAS number is 90282-99-8.
The XLogP3 value is 2.2.
Yes, the compound is canonicalized.